5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide

C29H33N7O — CID 118382129

About 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382129) has the molecular formula C29H33N7O and a molecular weight of 495.63 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118382129
• Molecular Formula: C29H33N7O
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.27
• IUPAC Name: 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccnc(CN2CCCC2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
• InChI: InChI=1S/C29H33N7O/c37-29(32-24-8-9-31-25(16-24)20-36-12-4-5-13-36)28-26-15-22(6-7-27(26)33-34-28)23-14-21(17-30-18-23)19-35-10-2-1-3-11-35/h6-9,14-18H,1-5,10-13,19-20H2,(H,33,34)(H,31,32,37)
• InChIKey: AFDIREMVSCLNII-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide (CID 118382129) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccnc(CN2CCCC2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.

What is the InChIKey of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is AFDIREMVSCLNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O/c37-29(32-24-8-9-31-25(16-24)20-36-12-4-5-13-36)28-26-15-22(6-7-27(26)33-34-28)23-14-21(17-30-18-23)19-35-10-2-1-3-11-35/h6-9,14-18H,1-5,10-13,19-20H2,(H,33,34)(H,31,32,37).

What are the key properties of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).